Molecule

ID:118977

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O₂
Molecular Mass
238.36574
Exact Mass
238.19328007
Charge
0
InChI
InChI=1S/C15H26O2/c1-12(2)5-4-6-14-7-8-15(10-16,11-17)13(3)9-14/h5,7,13,16-17H,4,6,8-11H2,1-3H3
InChIKey
YRUGEWVTANIGAS-UHFFFAOYSA-N
Canonic Smiles
OCC1(CO)CC=C(CC1C)CCC=C(C)C
Isomeric Smiles
C1(C(CC(=CC1)CCC=C(C)C)C)(CO)CO
Calculated Properties
JChem
Acid pKa
14.720848
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5211089
LogD (pH = 7.4)
2.5211089
Log P
2.5211089
Molar Refractivity
73.9289
Polarizability
28.393093
Polar Surface Area
40.46
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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